Exact Mass: 552.2054106

Exact Mass Matches: 552.2054106

Found 7 metabolites which its exact mass value is equals to given mass value 552.2054106, within given mass tolerance error 0.001 dalton. Try search metabolite list with more accurate mass tolerance error 0.0002 dalton.

Chenodeoxycholic acid disulfate

(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-2,15-dimethyl-5,9-bis(sulfooxy)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid

C24H40O10S2 (552.2062780000001)


Chenodeoxycholic acid disulfate is a bile acid derviative. A bile acid. Bile acids are steroid acids found predominantly in the bile of mammals. The distinction between different bile acids is minute, depending only on the presence or absence of hydroxyl groups on positions 3, 7, and 12. Bile acids are physiological detergents that facilitate excretion, absorption, and transport of fats and sterols in the intestine and liver. Bile acids are also steroidal amphipathic molecules derived from the catabolism of cholesterol. They modulate bile flow and lipid secretion, are essential for the absorption of dietary fats and vitamins, and have been implicated in the regulation of all the key enzymes involved in cholesterol homeostasis. Bile acids recirculate through the liver, bile ducts, small intestine and portal vein to form an enterohepatic circuit. They exist as anions at physiological pH and, consequently, require a carrier for transport across the membranes of the enterohepatic tissues. The unique detergent properties of bile acids are essential for the digestion and intestinal absorption of hydrophobic nutrients. Bile acids have potent toxic properties (e.g. membrane disruption) and there are a plethora of mechanisms to limit their accumulation in blood and tissues (PMID: 11316487, 16037564, 12576301, 11907135). A bile acid derviative. A bile acid. Bile acids are steroid acids found predominantly in bile of mammals. The distinction between different bile acids is minute, depends only on presence or absence of hydroxyl groups on positions 3, 7, and 12.

   

Deoxycholic acid disulfate

(4R)-4-[(1S,2S,5R,7R,10R,11S,14R,15R,16S)-2,15-dimethyl-5,16-bis(sulfooxy)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid

C24H40O10S2 (552.2062780000001)


Deoxycholic acid disulfate is a substrate for Proteinase activated receptor 2, Heterogeneous nuclear ribonucleoprotein H, Small inducible cytokine A24 and Hemoglobin alpha chain. [HMDB] Deoxycholic acid disulfate is a substrate for Proteinase activated receptor 2, Heterogeneous nuclear ribonucleoprotein H, Small inducible cytokine A24 and Hemoglobin alpha chain.

   

O(C)c1c(OC)cc2c3c1c1c(c(-c4c5nccc6c5c(C(=O)C(OC)=C6)c5c4cccc5)c3N(C)CC2)cccc1

O(C)c1c(OC)cc2c3c1c1c(c(-c4c5nccc6c5c(C(=O)C(OC)=C6)c5c4cccc5)c3N(C)CC2)cccc1

C36H28N2O4 (552.2048968)


   

(6-O-beta-D-glucopyranosyl)-6alpha-dihydrocornic acid methyl ester

(6-O-beta-D-glucopyranosyl)-6alpha-dihydrocornic acid methyl ester

C23H36O15 (552.2054106)


   

(4R)-4-((3R,5S,7R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-bis(sulfooxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid

"(4R)-4-((3R,5S,7R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-bis(sulfooxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid"

C24H40O10S2 (552.2062780000001)


   

Chenodeoxycholic acid disulfate

3alpha,7alpha-Dihydroxy-5beta-cholan-24-oic acid 3,7-disulfate

C24H40O10S2 (552.2062780000001)


   

Deoxycholic acid disulfate

3alpha,12alpha-Dihydroxy-5beta-cholan-24-oic acid 3,12-disulfate

C24H40O10S2 (552.2062780000001)